SCHEMBL22290157

SCHEMBL22290157

NC(=O)CCc1ccc(O)c(O)c1NI

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 3/20 0.36
▸ CHRNA7 P36544 1/20 0.34
▸ CAPN1 P07384 1/20 0.33
▸ MPO P05164 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ HK2 P52789 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11051603 0.79 IAPP (0.46) IAPPESR1ADORA3NPY1RPTGS2
SCHEMBL30203505 0.70 IAPP (0.68) IAPPMPO
SCHEMBL11058348 0.70 TYR (0.63) —
SCHEMBL7699472 0.69 TYR (0.41) CHRNA7MPO
SCHEMBL860002 0.66 TAAR1 (0.57) IAPPMPO
SCHEMBL7794268 0.66 EGFR (0.49) CHRNA7MPO
SCHEMBL8360319 0.66 TP53 (0.39) IAPPCAPN1MPO
SCHEMBL7754793 0.66 TP53 (0.42) IAPPCAPN1MPO
SCHEMBL6789908 0.65 CA2 (0.45) ESR1ADORA3NPY1RPTGS2OPRD1
SCHEMBL28330174 0.65 TAAR1 (0.55) IAPPMPO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917504-A1 COMPOSITIONS AND METHODS FOR TREATING OR LIMITING DEVELOPMENT OF AGE-RELATED MACULAR DEGENERATION Arizona Board of Regents on behalf of the University of Arizona (US) 2021-12-08 — — EP disclosed
WO-2020160256-A1 COMPOSITIONS AND METHODS FOR TREATING OR LIMITING DEVELOPMENT OF AGE-RELATED MACULAR DEGENERATION ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-06 — — WO disclosed
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